[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate

C21H23FN2O5S — CID 46790790

IUPAC[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESNS(=O)(=O)c1ccc(CNC(=O)COC(=O)C2(c3ccc(F)cc3)CCCC2)cc1
InChIInChI=1S/C21H23FN2O5S/c22-17-7-5-16(6-8-17)21(11-1-2-12-21)20(26)29-14-19(25)24-13-15-3-9-18(10-4-15)30(23,27)28/h3-10H,1-2,11-14H2,(H,24,25)(H2,23,27,28)
InChIKeyLRZZYGWDDDKHCI-UHFFFAOYSA-N
MW434.49 g/mol
LogP2.14
Rot. Bonds7

About [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate

[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 46790790) has the molecular formula C21H23FN2O5S and a molecular weight of 434.49 g/mol. Its IUPAC name is [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID46790790
Molecular FormulaC21H23FN2O5S
Molecular Weight434.49 g/mol
Exact Mass434.13
IUPAC Name[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESNS(=O)(=O)c1ccc(CNC(=O)COC(=O)C2(c3ccc(F)cc3)CCCC2)cc1
InChIInChI=1S/C21H23FN2O5S/c22-17-7-5-16(6-8-17)21(11-1-2-12-21)20(26)29-14-19(25)24-13-15-3-9-18(10-4-15)30(23,27)28/h3-10H,1-2,11-14H2,(H,24,25)(H2,23,27,28)
InChIKeyLRZZYGWDDDKHCI-UHFFFAOYSA-N
XLogP2.14
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate with MolForge

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Related Compounds

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 7455322
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 16526166
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 7811663
[2-oxo-2-(3-sulfamoylanilino)ethyl] 1-(4-fluorophenyl)cyclobutane-1-carboxylate
CID 55532301
[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2355135
(2-anilino-2-oxoethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866420
2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 28562504
[2-oxo-2-(propylcarbamoylamino)ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866334
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866466
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866432
[2-(4-chloroanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2336023
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 8611557

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate (CID 46790790) is [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate is NS(=O)(=O)c1ccc(CNC(=O)COC(=O)C2(c3ccc(F)cc3)CCCC2)cc1.
What is the InChIKey of [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is LRZZYGWDDDKHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O5S/c22-17-7-5-16(6-8-17)21(11-1-2-12-21)20(26)29-14-19(25)24-13-15-3-9-18(10-4-15)30(23,27)28/h3-10H,1-2,11-14H2,(H,24,25)(H2,23,27,28).
What are the key properties of [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 434.49 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 46790790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).